(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

C127H136F7N33O7 — CID 157314601

IUPAC(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3C)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)cc2nc1N1C[C@@H](C#N)[C@@H](O)C1
InChIInChI=1S/C26H28F2N6O.C26H27N7O2.C25H26F3N7O.C25H26F2N6O.C25H29N7O2/c1-15-12-32(14-18(15)11-29)25-16(2)13-34-23(30-25)10-21(31-34)22-6-4-5-9-33(22)26(35)19-7-8-20(27)24(28)17(19)3;1-16-13-33-23(29-25(16)31-14-18(12-27)22(34)15-31)11-20(30-33)21-7-2-3-10-32(21)26(35)19-6-4-5-17-8-9-28-24(17)19;1-15-12-33(14-17(15)11-29)23-16(2)13-35-22(31-23)10-19(32-35)20-7-3-4-9-34(20)24(36)18-6-5-8-21(30-18)25(26,27)28;1-15-12-31(14-17(15)11-28)24-16(2)13-33-23(29-24)10-21(30-33)22-5-3-4-8-32(22)25(34)19-7-6-18(26)9-20(19)27;1-16-12-30(14-18(16)11-26)24-17(2)13-32-23(28-24)10-21(29-32)22-8-3-4-9-31(22)25(34)20-7-5-6-19(15-33)27-20/h7-8,10,13,15,18,22H,4-6,9,12,14H2,1-3H3;4-6,8-9,11,13,18,21-22,28,34H,2-3,7,10,14-15H2,1H3;5-6,8,10,13,15,17,20H,3-4,7,9,12,14H2,1-2H3;6-7,9-10,13,15,17,22H,3-5,8,12,14H2,1-2H3;5-7,10,13,16,18,22,33H,3-4,8-9,12,14-15H2,1-2H3/t15-,18+,22-;18-,21+,22+;15-,17+,20-;15-,17+,22-;16-,18+,22-/m01000/s1
InChIKeyBDLDCAHDZDEJNX-GZUYRRGISA-N
MW2369.69 g/mol
LogP19.38
Rot. Bonds16

About (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile

(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (PubChem CID 157314601) has the molecular formula C127H136F7N33O7 and a molecular weight of 2369.69 g/mol. Its IUPAC name is (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
PubChem CID157314601
Molecular FormulaC127H136F7N33O7
Molecular Weight2369.69 g/mol
Exact Mass2368.12
IUPAC Name(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3C)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)cc2nc1N1C[C@@H](C#N)[C@@H](O)C1
InChIInChI=1S/C26H28F2N6O.C26H27N7O2.C25H26F3N7O.C25H26F2N6O.C25H29N7O2/c1-15-12-32(14-18(15)11-29)25-16(2)13-34-23(30-25)10-21(31-34)22-6-4-5-9-33(22)26(35)19-7-8-20(27)24(28)17(19)3;1-16-13-33-23(29-25(16)31-14-18(12-27)22(34)15-31)11-20(30-33)21-7-2-3-10-32(21)26(35)19-6-4-5-17-8-9-28-24(17)19;1-15-12-33(14-17(15)11-29)23-16(2)13-35-22(31-23)10-19(32-35)20-7-3-4-9-34(20)24(36)18-6-5-8-21(30-18)25(26,27)28;1-15-12-31(14-17(15)11-28)24-16(2)13-33-23(29-24)10-21(30-33)22-5-3-4-8-32(22)25(34)19-7-6-18(26)9-20(19)27;1-16-12-30(14-18(16)11-26)24-17(2)13-32-23(28-24)10-21(29-32)22-8-3-4-9-31(22)25(34)20-7-5-6-19(15-33)27-20/h7-8,10,13,15,18,22H,4-6,9,12,14H2,1-3H3;4-6,8-9,11,13,18,21-22,28,34H,2-3,7,10,14-15H2,1H3;5-6,8,10,13,15,17,20H,3-4,7,9,12,14H2,1-2H3;6-7,9-10,13,15,17,22H,3-5,8,12,14H2,1-2H3;5-7,10,13,16,18,22,33H,3-4,8-9,12,14-15H2,1-2H3/t15-,18+,22-;18-,21+,22+;15-,17+,20-;15-,17+,22-;16-,18+,22-/m01000/s1
InChIKeyBDLDCAHDZDEJNX-GZUYRRGISA-N
XLogP19.38
TPSA469.68 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.69
LogP ≤ 519.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile with MolForge

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Related Compounds

(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)-4-[2-[4-[2-(trifluoromethyl)-4-[4-[2-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-2-yl]phenyl]piperidine-1-carbonyl]imidazo[1,2-a]pyridin-7-yl]phenyl]piperidin-1-yl]methanone
CID 146349816
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7,7-difluoro-4-hydroxy-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-cyclopropylpyrazole-3-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5H-imidazo[4,5-c]pyridin-4-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-cyclopropyl-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 158153975
tert-butyl (3R)-1-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperidine-4-carboxylate;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-4,4-dimethylpentan-1-one;(2R)-1-[(2S)-4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-2-phenylethanone;(3R,4R)-1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-N,3-dimethylpiperidine-4-carboxamide
CID 158219408
CID 158526333
CID 158526333
N-cyclohexyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158754001
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158955162
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-3-methylbutan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 159033175
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159284945
2-(1-cyanocyclopropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159526082
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 160053227
CID 160606936
CID 160606936

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The IUPAC name of (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile (CID 157314601) is (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)c(F)c3C)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc(F)cc3F)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(C(F)(F)F)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(CO)n3)cc2nc1N1C[C@@H](C#N)[C@@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc4cc[nH]c34)cc2nc1N1C[C@@H](C#N)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
The InChIKey is BDLDCAHDZDEJNX-GZUYRRGISA-N. The full InChI is InChI=1S/C26H28F2N6O.C26H27N7O2.C25H26F3N7O.C25H26F2N6O.C25H29N7O2/c1-15-12-32(14-18(15)11-29)25-16(2)13-34-23(30-25)10-21(31-34)22-6-4-5-9-33(22)26(35)19-7-8-20(27)24(28)17(19)3;1-16-13-33-23(29-25(16)31-14-18(12-27)22(34)15-31)11-20(30-33)21-7-2-3-10-32(21)26(35)19-6-4-5-17-8-9-28-24(17)19;1-15-12-33(14-17(15)11-29)23-16(2)13-35-22(31-23)10-19(32-35)20-7-3-4-9-34(20)24(36)18-6-5-8-21(30-18)25(26,27)28;1-15-12-31(14-17(15)11-28)24-16(2)13-33-23(29-24)10-21(30-33)22-5-3-4-8-32(22)25(34)19-7-6-18(26)9-20(19)27;1-16-12-30(14-18(16)11-26)24-17(2)13-32-23(28-24)10-21(29-32)22-8-3-4-9-31(22)25(34)20-7-5-6-19(15-33)27-20/h7-8,10,13,15,18,22H,4-6,9,12,14H2,1-3H3;4-6,8-9,11,13,18,21-22,28,34H,2-3,7,10,14-15H2,1H3;5-6,8,10,13,15,17,20H,3-4,7,9,12,14H2,1-2H3;6-7,9-10,13,15,17,22H,3-5,8,12,14H2,1-2H3;5-7,10,13,16,18,22,33H,3-4,8-9,12,14-15H2,1-2H3/t15-,18+,22-;18-,21+,22+;15-,17+,20-;15-,17+,22-;16-,18+,22-/m01000/s1.
What are the key properties of (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile?
(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile has a molecular weight of 2369.69 g/mol, XLogP of 19.38, 16 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-hydroxy-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-[6-(hydroxymethyl)pyridine-2-carbonyl]piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile is sourced from PubChem (CID 157314601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).